2-chloranyl-5-(hexylamino)benzoic acid

Systemtic Name: 2-chloranyl-5-(hexylamino)benzoic acid Openeye Name: 2-chloro-5-(hexylamino)benzoic acid CAS Name: 2-chloro-5-(hexylamino)benzoic acid IUPAC Name: 2-chloro-5-(hexylamino)benzoic acid Traditional Name: 2-chloro-5-(hexylamino)benzoic acid Formula: C13H18ClNO2 MolecularWeight: 255.74052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=CC(=C(C=C1)Cl)C(=O)O

Isomeric SMILES

CCCCCCNC1=CC(=C(C=C1)Cl)C(=O)O

InChI

InChI=1S/C13H18ClNO2/c1-2-3-4-5-8-15-10-6-7-12(14)11(9-10)13(16)17/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)